SCHEMBL9264337

SCHEMBL9264337

Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.54
AOC3 Q16853 2/20 0.50
SHMT2 P34897 1/20 0.49
PIM1 P11309 5/20 0.48
PPARA Q07869 1/20 0.48
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
ALOX5 P09917 1/20 0.42
MAPT P10636 2/20 0.41
SCN5A Q14524 2/20 0.41
KCNH2 Q12809 2/20 0.40
SCN1A P35498 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
ALPI P09923 1/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9261384 0.82 GRM5 (0.48) SCN10APIM1CYP2E1CYP3A4CYP2A6
SCHEMBL28003155 0.81 SCN10A (0.49) SCN10ASHMT2PIM1ALOX5MAPT
SCHEMBL23367875 0.81 SHMT2 (0.50) SCN10ASHMT2PIM1ALOX5MAPT
SCHEMBL9264332 0.81 SHMT2 (0.49) SCN10ASHMT2PIM1ALOX5MAPT
SCHEMBL8198560 0.80 CYP3A4 (0.60) AOC3CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL23367910 0.80 SCN10A (0.48) SCN10ASHMT2PIM1ALOX5MAPT
SCHEMBL2096148 0.80 MAPT (0.61) AOC3MAPTKDM4EPOLBATM
SCHEMBL13680493 0.79 CYP2A6 (0.47) SCN10AAOC3SHMT2PPARACYP2E1
SCHEMBL7905176 0.78 CYP3A4 (0.58) AOC3CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2307283 0.78 CYP2E1 (0.47) AOC3PIM1PPARACYP2E1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-5395845-A Insecticides ROUSSEL-UCLAF (FR) 1995-03-07 US disclosed